Information card for entry 2200703

Structure parameters

• Chemical name: 2-acetyl-7-methylbenzo[e]indol
• Formula: C15 H13 N O
• Calculated formula: C15 H13 N O
• SMILES: O=C(c1[nH]c2c(c1)c1c(cc2)c(ccc1)C)C
• Title of publication: Photochemical formation of 2-acetyl-7-methylbenz[<i>e</i>]indole
• Authors of publication: Višnjevac, Aleksandar; Basarić, Nikola; Kojić-Prodić, Biserka; Šindler-Kulyk, Marija
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: o1252 - o1254
• a: 6.871 ± 0.0006 Å
• b: 8.835 ± 0.001 Å
• c: 19.042 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1156 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes